BindingDB logo
myBDB logout

2 similar compounds to monomer 50237130

Compile data set for download or QSAR
Wt: 255.2
BDBM50237129
Wt: 269.2
BDBM50237131

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50237129,50237131   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50237131
PNG
(CHEMBL1970023)
Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C16H15NO3/c1-19-15-8-6-13(10-16(15)20-2)14(18)7-5-12-4-3-9-17-11-12/h3-11H,1-2H3/b7-5+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 176n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1B1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50237131
PNG
(CHEMBL1970023)
Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C16H15NO3/c1-19-15-8-6-13(10-16(15)20-2)14(18)7-5-12-4-3-9-17-11-12/h3-11H,1-2H3/b7-5+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1A1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50237129
PNG
(CHEMBL4091327)
Show SMILES COc1ccc(\C=C\C(=O)c2cccnc2)cc1O
Show InChI InChI=1S/C15H13NO3/c1-19-15-7-5-11(9-14(15)18)4-6-13(17)12-3-2-8-16-10-12/h2-10,18H,1H3/b6-4+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1A1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50237129
PNG
(CHEMBL4091327)
Show SMILES COc1ccc(\C=C\C(=O)c2cccnc2)cc1O
Show InChI InChI=1S/C15H13NO3/c1-19-15-7-5-11(9-14(15)18)4-6-13(17)12-3-2-8-16-10-12/h2-10,18H,1H3/b6-4+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1A2 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using CEC as substrate after 10 mins by fluorescence ...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50237131
PNG
(CHEMBL1970023)
Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C16H15NO3/c1-19-15-8-6-13(10-16(15)20-2)14(18)7-5-12-4-3-9-17-11-12/h3-11H,1-2H3/b7-5+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 705n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1A2 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using CEC as substrate after 10 mins by fluorescence ...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50237129
PNG
(CHEMBL4091327)
Show SMILES COc1ccc(\C=C\C(=O)c2cccnc2)cc1O
Show InChI InChI=1S/C15H13NO3/c1-19-15-7-5-11(9-14(15)18)4-6-13(17)12-3-2-8-16-10-12/h2-10,18H,1H3/b6-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 112n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Inhibition of human liver CYP1B1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by...


Eur J Med Chem 129: 159-174 (2017)

More data for this
Ligand-Target Pair